5585-59-1
NITROCYCLINE
Name
NITROCYCLINE
Formula
C21 H21 N3 O9
MolWeight
459.409
1Identification
【Name】
NITROCYCLINE
【CAS】
【MDL】
MFCD00865090
【English Synonyms】
【Formula】
C21 H21 N3 O9
【MolWeight】
459.409
【Inchi】
InChI=1S/C21H21N3O9/c1-23(2)15-9-6-7-5-8-10(24(32)33)3-4-11(25)13(8)16(26)12(7)18(28)21(9,31)19(29)14(17(15)27)20(22)30/h3-4,7,9,15,25,27-28,31H,5-6H2,1-2H3,(H2,22,30)/t7-,9-,15-,21-/m0/s1
【InChIKey】
InChIKey=PHMPSHIUYYLXKR-UVPAEMEASA-N
【SMILES】
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:12
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
NITROCYCLINE.cml
Quick Release
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